null

SMILES: COCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O

InChI Key: InChIKey=WBEADJIJDUXNQI-SWLSCSKDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50095542   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Collagenase 3 (Homo sapiens (Human))	BDBM50095542 (1-[4-(2-Methoxy-ethoxy)-benzenesulfonyl]-4-(3-meth...) Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O Show InChI InChI=1S/C18H24N4O8S/c1-20-11-16(23)22(18(20)25)12-9-15(17(24)19-26)21(10-12)31(27,28)14-5-3-13(4-6-14)30-8-7-29-2/h3-6,11-12,15,23,26H,7-10H2,1-2H3,(H,19,24)/t12-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50095542 (1-[4-(2-Methoxy-ethoxy)-benzenesulfonyl]-4-(3-meth...) Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O Show InChI InChI=1S/C18H24N4O8S/c1-20-11-16(23)22(18(20)25)12-9-15(17(24)19-26)21(10-12)31(27,28)14-5-3-13(4-6-14)30-8-7-29-2/h3-6,11-12,15,23,26H,7-10H2,1-2H3,(H,19,24)/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -3 (stromelysin)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50095542 (1-[4-(2-Methoxy-ethoxy)-benzenesulfonyl]-4-(3-meth...) Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O Show InChI InChI=1S/C18H24N4O8S/c1-20-11-16(23)22(18(20)25)12-9-15(17(24)19-26)21(10-12)31(27,28)14-5-3-13(4-6-14)30-8-7-29-2/h3-6,11-12,15,23,26H,7-10H2,1-2H3,(H,19,24)/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP7				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50095542 (1-[4-(2-Methoxy-ethoxy)-benzenesulfonyl]-4-(3-meth...) Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O Show InChI InChI=1S/C18H24N4O8S/c1-20-11-16(23)22(18(20)25)12-9-15(17(24)19-26)21(10-12)31(27,28)14-5-3-13(4-6-14)30-8-7-29-2/h3-6,11-12,15,23,26H,7-10H2,1-2H3,(H,19,24)/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-7 (matrilysin, MMP-7)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50095542 (1-[4-(2-Methoxy-ethoxy)-benzenesulfonyl]-4-(3-meth...) Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O Show InChI InChI=1S/C18H24N4O8S/c1-20-11-16(23)22(18(20)25)12-9-15(17(24)19-26)21(10-12)31(27,28)14-5-3-13(4-6-14)30-8-7-29-2/h3-6,11-12,15,23,26H,7-10H2,1-2H3,(H,19,24)/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50095542 (1-[4-(2-Methoxy-ethoxy)-benzenesulfonyl]-4-(3-meth...) Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O Show InChI InChI=1S/C18H24N4O8S/c1-20-11-16(23)22(18(20)25)12-9-15(17(24)19-26)21(10-12)31(27,28)14-5-3-13(4-6-14)30-8-7-29-2/h3-6,11-12,15,23,26H,7-10H2,1-2H3,(H,19,24)/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -1 (collagenase-1)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair